Try beta.chemspider
4-Butyl-2,6-bis(4-methoxyphenyl)-3-methyl-4-piperidinol
CCCCC1(CC(NC(C1C)c2ccc(cc2)OC)c3ccc(cc3)OC)O
InChI=1S/C24H33NO3/c1-5-6-15-24(26)16-22(18-7-11-20(27-3)12-8-18)25-23(17(24)2)19-9-13-21(28-4)14-10-19/h7-14,17,22-23,25-26H,5-6,15-16H2,1-4H3
UJRIBUDZMNUBLS-UHFFFAOYSA-N
CSID:2130618, http://www.chemspider.com/Chemical-Structure.2130618.html (accessed 14:14, Apr 23, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.55 (Adapted Stein & Brown method) Melting Pt (deg C): 206.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.31E-012 (Modified Grain method) Subcooled liquid VP: 4.47E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.9181 log Kow used: 5.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2901 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.90E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.919E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.42 (KowWin est) Log Kaw used: -11.618 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.038 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9071 Biowin2 (Non-Linear Model) : 0.9641 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3460 (weeks-months) Biowin4 (Primary Survey Model) : 3.6075 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2908 Biowin6 (MITI Non-Linear Model): 0.0559 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3007 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.96E-008 Pa (4.47E-010 mm Hg) Log Koa (Koawin est ): 17.038 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 50.3 Octanol/air (Koa) model: 2.68E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 181.6323 E-12 cm3/molecule-sec Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.707 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.605E+004 Log Koc: 4.749 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.477 (BCF = 3000) log Kow used: 5.42 (estimated) Volatilization from Water: Henry LC: 5.9E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.943E+010 hours (8.098E+008 days) Half-Life from Model Lake : 2.12E+011 hours (8.834E+009 days) Removal In Wastewater Treatment: Total removal: 87.19 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.45 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000799 1.41 1000 Water 5.93 900 1000 Soil 61.6 1.8e+003 1000 Sediment 32.5 8.1e+003 0 Persistence Time: 2.63e+003 hr
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